RTI-13951-33


SMILES COCc1ccc(cc1)c1ccc(cc1)N(C(=O)[C@@H]1C[C@H]1c1ccccn1)C[C@H]([C@H](OC)C)N
InChIKey XCHHIKJEGXHKLQ-UJTWYAIMSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 459.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR88 GPR88 Mouse A orphans A pKd 7.39 7.39 7.39 ChEMBL
GPR88 GPR88 Human A orphans A pKd 7.07 7.07 7.07 ChEMBL
GPR88 GPR88 Human A orphans A pKi 6.65 6.65 6.65 ChEMBL
κ OPRK Human Opioid A pKi 5.64 5.64 5.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR88 GPR88 Human A orphans A pEC50 7.6 7.6 7.6 Guide to Pharmacology
GPR88 GPR88 Mouse A orphans A pEC50 6.27 6.93 7.6 ChEMBL
GPR88 GPR88 Human A orphans A pEC50 7.0 7.32 7.6 ChEMBL